2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

C13H16N2O2 — CID 79287688

IUPAC2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESC#CCNCC(=O)NC1CCCc2occc21
InChIInChI=1S/C13H16N2O2/c1-2-7-14-9-13(16)15-11-4-3-5-12-10(11)6-8-17-12/h1,6,8,11,14H,3-5,7,9H2,(H,15,16)
InChIKeyHZCJUWNBGUBUMA-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.00
Rot. Bonds4

About 2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (PubChem CID 79287688) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
PubChem CID79287688
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESC#CCNCC(=O)NC1CCCc2occc21
InChIInChI=1S/C13H16N2O2/c1-2-7-14-9-13(16)15-11-4-3-5-12-10(11)6-8-17-12/h1,6,8,11,14H,3-5,7,9H2,(H,15,16)
InChIKeyHZCJUWNBGUBUMA-UHFFFAOYSA-N
XLogP1.00
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672796
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78898081
2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 81172884
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864
1-[2-oxo-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 60940744
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
2-(4-ethylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86923843
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(prop-2-ynylamino)acetamide
CID 79286729
N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
CID 115466077
2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78849389
4-[3-oxo-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]benzoic acid
CID 75513274

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (CID 79287688) is 2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is C#CCNCC(=O)NC1CCCc2occc21.
What is the InChIKey of 2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The InChIKey is HZCJUWNBGUBUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-7-14-9-13(16)15-11-4-3-5-12-10(11)6-8-17-12/h1,6,8,11,14H,3-5,7,9H2,(H,15,16).
What are the key properties of 2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 79287688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).